acotarine E

AlkaPlorer ID: AK009774

Synonym: None

IUPAC Name: None

Structure

SMILES: CCN1C(O2)[C@]34C([C@@H]2C=C5[C@]6([H])[C@@]4([H])C[C@H](C(O)C5)[C@@H]6O)[C@@](C1)(COC)CC[C@@H]3OC

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InChI: InChI=1S/C23H35NO5/c1-4-24-10-22(11-27-2)6-5-17(28-3)23-14-9-13-15(25)7-12(18(14)19(13)26)8-16(20(22)23)29-21(23)24/h8,13-21,25-26H,4-7,9-11H2,1-3H3/t13-,14-,15?,16+,17+,18-,19+,20?,21?,22+,23+/m1/s1

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InChIKey: XBGAIQTZPAZIOG-TYRNBBKSSA-N

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Source

Properties Information

Molecule Weight: 405.53500000000025

TPSA: 71.39000000000001

MolLogP: 1.4087999999999996

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information